Chem
J-GLOBAL ID:200907005630615633
Nikkaji number:J144.366F
30-Nor-A′-neogammacerane-3,22-dione
30-ノル-A′-ネオガンマセラン-3,22-ジオン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C29 H46 O2
Molecular formula furigana:
C29-H46-O2
Molecular weight:
426.685
InChI:
InChI=1S/C29H46O2/c1-18(30)19-10-14-26(4)20(19)11-16-28(6)22(26)8-9-23-27(5)15-13-24(31)25(2,3)21(27)12-17-29(23,28)7/h19-23H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,26+,27+,28-,29-/m1/s1
InChI key:
XKEAUZKIEWUJFX-IYOPZEPTSA-N
SMILES:
CC(=O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C
Systematic name (3):
30-ノル-A′-ネオガンマセラン-3,22-ジオン
(3S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3-アセチル-5a,5b,8,8,11a,13b-ヘキサメチル-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-オン
(3S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-3-acetyl-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-9-one
Other name (1):
30-Nor-A′-neogammacerane-3,22-dione
CAS registry number:
1177-74-8
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