COMPOUND: C11882
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Entry
C11882 Compound
Name
Abietinol;
Abietol;
Abieta-7,13-dien-18-ol;
((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol
Formula
C20H32O
Exact mass
288.2453
Mol weight
288.47
Structure
Mol file
KCF file
DB search
Reaction
R06351
R06354
R10077
R12122
Pathway
map00904
Diterpenoid biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.14.144
1.14.14.145
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010405 Abietane diterpenoids
C11882 Abietinol
BRITE hierarchy
Other DBs
CAS:
666-84-2
PubChem:
14044
ChEBI:
29510
LIPIDMAPS:
LMPR0104050006
KNApSAcK:
C00000870
NIKKAJI:
J37.478D
LinkDB
All DBs
KCF data
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ATOM 21
1 C1z C 23.6694 -22.8629
2 C1b C 22.9521 -24.0705
3 C1a C 24.3703 -24.5605
4 O1a O 21.9487 -24.5662
5 C2y C 28.5470 -18.6691
6 C1x C 26.1142 -18.6596
7 C1x C 27.3499 -17.9736
8 C1y C 26.1143 -20.0618
9 C1x C 26.1021 -22.8844
10 C2x C 27.3289 -22.1770
11 C1c C 29.7516 -17.9675
12 C1y C 24.8993 -22.1801
13 C1z C 24.9189 -20.7714
14 C1x C 23.7086 -20.0454
15 C1x C 22.4788 -20.7355
16 C1x C 22.4591 -22.1442
17 C1a C 24.8993 -19.3660
18 C2x C 28.5367 -20.0510
19 C2y C 27.3289 -20.7433
20 C1a C 29.7447 -16.5690
21 C1a C 30.9523 -18.6527
BOND 23
1 2 4 1
2 1 2 1 #Down
3 1 3 1 #Up
4 13 14 1
5 14 15 1
6 15 16 1
7 16 1 1
8 1 12 1
9 13 8 1
10 8 19 1
11 7 6 1
12 5 11 1
13 13 17 1 #Up
14 5 18 2
15 8 6 1
16 18 19 1
17 12 9 1
18 11 20 1
19 5 7 1
20 11 21 1
21 9 10 1
22 19 10 2
23 12 13 1
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